The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
- ai-for-science
- diffusion-models
- drug-design
- equivariant-networks
Repository Index
73,862 visible repositories in the index
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pyMOR - Model Order Reduction with Python
- python
- model-reduction
- model-order-reduction
- control-systems
Collection of self-contained header-only libraries for C++17
Image restoration for fluorescence microscopy
NASA PVS Library of Formal Developments
The TiGL Geometry Library to process aircraft geometries in pre-design.
- opencascade
- aircraft
- c-plus-plus
- geometry
Source code for "DeepDTA: deep drug-target binding affinity prediction"
- protein-ligand-interactions
- convolutional-neural-networks
Mundo: Customized World Model
Ark -- Archetype-based Entity Component System (ECS) for Go.
- ecs
- entity-component-system
- go
- golang
Native R and Python sample-deletion robustness for omics: candidate certificates, minimum deletion bounds, Bioconductor model refits and donor-level pseudobulk
- bioinformatics
- exact-optimization
- metabolomics
- paired-data
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
- python
- urban-design
- urban-analytics
- ubem
Descriptor computation(chemistry) and (optional) storage for machine learning
Voronoi / Delaunay tessellations on the sphere
- voronoi
- d3js
- d3
- geospatial
Kaapana is an open source toolkit for state of the art platform provisioning in the field of medical data analysis. The applications comprise AI-based workflows and federated learning scenarios with a focus on radiological and radiotherapeutic imaging. The name Kaapana comes from the Hawaiian word kaʻāpana, meaning "distributor" or "part".
- imaging
- ai
- cloud-computing
- medical-imaging
Fundamentals 5 Code Library for FreePascal and Delphi
CEED Library: Code for Efficient Extensible Discretizations
- ceed
- high-order
- exascale-computing
- api
A high-performance engine for engineering math, physics simulation, and MCAD and ECAD as code. RunMat checks types, sizes and units before anything runs, executes on CPU and GPU, and runs existing MATLAB-language code as written.
- matlab
- rust
- jit-compiler
- linear-algebra
Schema and generated objects for biolink data model and upper ontology
- biolink
- monarchinitiative
- gene-ontology
- datamodel
Interactive 2D wave optics simulator. Turn any image into a refractive scene, add sources, watch waves refract, diffract and interfere. Probes, intensity maps, video export.
RNA-seq prediction with deep convolutional neural networks.
A TLA+ interpreter and model checker in TypeScript
- formal-verification
- tlaplus
- typescript
Bi-Directional Equivariant Long-Range DNA Sequence Modeling
Pan-Cancer Integrative Histology-Genomic Analysis via Multimodal Deep Learning - Cancer Cell
- histology
- wsi-images
- pan-cancer-analysis
- genomics
Correctly rounded decimals for Go
- decimal
- financial
- floating-point
- general-decimal-arithmetic